USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot -99:sc= -1.08! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -1.72 K(o=-2.8,f=-13!) USER MOD Single : A 11 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0.028) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 162:sc= -1.47 (180deg=-2!) USER MOD Single : A 34 HIS : no HD1:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.676 K(o=-0.68,f=-8.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.048) USER MOD Single : A 71 GLN : amide:sc= -1.88 K(o=-1.9,f=-3!) USER MOD Single : A 74 TYR OH : rot -155:sc= -0.701 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 78 THR OG1 : rot 37:sc= 0.892 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -11.951 3.878 0.192 1.00 0.00 N ATOM 79 CA VAL A 5 -10.861 3.381 -0.639 1.00 0.00 C ATOM 80 C VAL A 5 -10.431 1.985 -0.202 1.00 0.00 C ATOM 81 O VAL A 5 -9.905 1.210 -0.999 1.00 0.00 O ATOM 82 CB VAL A 5 -9.638 4.319 -0.596 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.646 3.950 -1.688 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.072 5.773 -0.726 1.00 0.00 C ATOM 0 HA VAL A 5 -11.239 3.342 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.144 4.199 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.789 4.622 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.310 2.923 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.127 4.040 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.195 6.419 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.592 5.914 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.741 6.028 0.096 1.00 0.00 H new ATOM 94 N ALA A 6 -10.658 1.669 1.070 1.00 0.00 N ATOM 95 CA ALA A 6 -10.295 0.366 1.611 1.00 0.00 C ATOM 96 C ALA A 6 -11.022 -0.755 0.878 1.00 0.00 C ATOM 97 O ALA A 6 -10.440 -1.797 0.581 1.00 0.00 O ATOM 98 CB ALA A 6 -10.600 0.308 3.100 1.00 0.00 C ATOM 0 H ALA A 6 -11.092 2.299 1.744 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.224 0.226 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.324 -0.672 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.030 1.079 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.665 0.475 3.260 1.00 0.00 H new ATOM 104 N ARG A 7 -12.298 -0.529 0.587 1.00 0.00 N ATOM 105 CA ARG A 7 -13.107 -1.519 -0.114 1.00 0.00 C ATOM 106 C ARG A 7 -12.567 -1.764 -1.517 1.00 0.00 C ATOM 107 O ARG A 7 -12.273 -2.898 -1.896 1.00 0.00 O ATOM 108 CB ARG A 7 -14.564 -1.058 -0.186 1.00 0.00 C ATOM 109 CG ARG A 7 -15.434 -1.611 0.930 1.00 0.00 C ATOM 110 CD ARG A 7 -16.666 -0.752 1.154 1.00 0.00 C ATOM 111 NE ARG A 7 -17.413 -0.535 -0.084 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.463 0.276 -0.183 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.893 0.951 0.878 1.00 0.00 N ATOM 114 NH2 ARG A 7 -19.085 0.415 -1.346 1.00 0.00 N ATOM 0 H ARG A 7 -12.794 0.330 0.825 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.058 -2.455 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.594 0.031 -0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.984 -1.359 -1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.738 -2.629 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.854 -1.665 1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.313 -1.230 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.367 0.210 1.571 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.112 -1.035 -0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.417 0.849 1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.699 1.571 0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.758 -0.100 -2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -19.890 1.037 -1.423 1.00 0.00 H new ATOM 128 N GLU A 8 -12.430 -0.689 -2.280 1.00 0.00 N ATOM 129 CA GLU A 8 -11.918 -0.776 -3.641 1.00 0.00 C ATOM 130 C GLU A 8 -10.460 -1.222 -3.635 1.00 0.00 C ATOM 131 O GLU A 8 -9.997 -1.882 -4.565 1.00 0.00 O ATOM 132 CB GLU A 8 -12.049 0.576 -4.346 1.00 0.00 C ATOM 133 CG GLU A 8 -13.339 0.727 -5.136 1.00 0.00 C ATOM 134 CD GLU A 8 -13.860 2.150 -5.133 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.476 2.926 -6.034 1.00 0.00 O ATOM 136 OE2 GLU A 8 -14.654 2.491 -4.230 1.00 0.00 O ATOM 0 H GLU A 8 -12.667 0.256 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.508 -1.515 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.993 1.371 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.202 0.709 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.171 0.408 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.097 0.065 -4.717 1.00 0.00 H new ATOM 143 N PHE A 9 -9.744 -0.856 -2.577 1.00 0.00 N ATOM 144 CA PHE A 9 -8.339 -1.217 -2.441 1.00 0.00 C ATOM 145 C PHE A 9 -8.176 -2.733 -2.388 1.00 0.00 C ATOM 146 O PHE A 9 -7.419 -3.313 -3.163 1.00 0.00 O ATOM 147 CB PHE A 9 -7.753 -0.579 -1.177 1.00 0.00 C ATOM 148 CG PHE A 9 -6.322 -0.954 -0.911 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.996 -2.214 -0.433 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.301 -0.044 -1.137 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.681 -2.559 -0.185 1.00 0.00 C ATOM 152 CE2 PHE A 9 -3.984 -0.383 -0.892 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.673 -1.642 -0.416 1.00 0.00 C ATOM 0 H PHE A 9 -10.115 -0.309 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.800 -0.843 -3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.824 0.505 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.360 -0.871 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.780 -2.935 -0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.538 0.942 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.441 -3.544 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.198 0.336 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.644 -1.909 -0.225 1.00 0.00 H new ATOM 163 N ARG A 10 -8.895 -3.366 -1.468 1.00 0.00 N ATOM 164 CA ARG A 10 -8.832 -4.814 -1.311 1.00 0.00 C ATOM 165 C ARG A 10 -9.298 -5.524 -2.578 1.00 0.00 C ATOM 166 O ARG A 10 -8.743 -6.554 -2.963 1.00 0.00 O ATOM 167 CB ARG A 10 -9.689 -5.256 -0.123 1.00 0.00 C ATOM 168 CG ARG A 10 -9.311 -6.623 0.424 1.00 0.00 C ATOM 169 CD ARG A 10 -10.482 -7.591 0.376 1.00 0.00 C ATOM 170 NE ARG A 10 -11.638 -7.090 1.116 1.00 0.00 N ATOM 171 CZ ARG A 10 -12.859 -7.611 1.027 1.00 0.00 C ATOM 172 NH1 ARG A 10 -13.088 -8.648 0.230 1.00 0.00 N ATOM 173 NH2 ARG A 10 -13.855 -7.094 1.735 1.00 0.00 N ATOM 0 H ARG A 10 -9.529 -2.899 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.793 -5.087 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.599 -4.518 0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.736 -5.272 -0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.480 -7.029 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.965 -6.521 1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.765 -7.767 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.175 -8.552 0.790 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.501 -6.293 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.326 -9.049 -0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.026 -9.044 0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.685 -6.297 2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.791 -7.494 1.666 1.00 0.00 H new ATOM 187 N HIS A 11 -10.320 -4.972 -3.220 1.00 0.00 N ATOM 188 CA HIS A 11 -10.860 -5.558 -4.441 1.00 0.00 C ATOM 189 C HIS A 11 -9.828 -5.546 -5.567 1.00 0.00 C ATOM 190 O HIS A 11 -9.617 -6.557 -6.237 1.00 0.00 O ATOM 191 CB HIS A 11 -12.117 -4.802 -4.881 1.00 0.00 C ATOM 192 CG HIS A 11 -13.384 -5.367 -4.318 1.00 0.00 C ATOM 193 ND1 HIS A 11 -14.270 -6.116 -5.062 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.913 -5.289 -3.074 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.290 -6.473 -4.302 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.097 -5.983 -3.092 1.00 0.00 N ATOM 0 H HIS A 11 -10.791 -4.120 -2.916 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.118 -6.595 -4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.028 -3.759 -4.578 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.176 -4.814 -5.969 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.483 -4.776 -2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.137 -7.065 -4.617 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.726 -6.101 -2.298 1.00 0.00 H new ATOM 205 N LYS A 12 -9.195 -4.397 -5.776 1.00 0.00 N ATOM 206 CA LYS A 12 -8.196 -4.258 -6.830 1.00 0.00 C ATOM 207 C LYS A 12 -6.930 -5.051 -6.512 1.00 0.00 C ATOM 208 O LYS A 12 -6.284 -5.585 -7.413 1.00 0.00 O ATOM 209 CB LYS A 12 -7.852 -2.783 -7.055 1.00 0.00 C ATOM 210 CG LYS A 12 -7.126 -2.131 -5.890 1.00 0.00 C ATOM 211 CD LYS A 12 -6.257 -0.974 -6.357 1.00 0.00 C ATOM 212 CE LYS A 12 -7.083 0.278 -6.613 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.938 0.763 -8.013 1.00 0.00 N ATOM 0 H LYS A 12 -9.355 -3.550 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.626 -4.665 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.234 -2.697 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.772 -2.232 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.853 -1.772 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.507 -2.872 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.497 -0.762 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.732 -1.257 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.133 0.068 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.775 1.064 -5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.516 1.617 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.940 0.988 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.256 0.023 -8.671 1.00 0.00 H new ATOM 227 N VAL A 13 -6.578 -5.129 -5.233 1.00 0.00 N ATOM 228 CA VAL A 13 -5.387 -5.864 -4.819 1.00 0.00 C ATOM 229 C VAL A 13 -5.498 -7.336 -5.197 1.00 0.00 C ATOM 230 O VAL A 13 -4.594 -7.899 -5.813 1.00 0.00 O ATOM 231 CB VAL A 13 -5.141 -5.740 -3.302 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.950 -6.586 -2.872 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.927 -4.286 -2.911 1.00 0.00 C ATOM 0 H VAL A 13 -7.096 -4.695 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.541 -5.421 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.027 -6.111 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.798 -6.481 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.142 -7.632 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.057 -6.251 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.755 -4.220 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.061 -3.890 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.811 -3.705 -3.174 1.00 0.00 H new ATOM 243 N ASP A 14 -6.613 -7.955 -4.825 1.00 0.00 N ATOM 244 CA ASP A 14 -6.840 -9.364 -5.126 1.00 0.00 C ATOM 245 C ASP A 14 -6.961 -9.586 -6.630 1.00 0.00 C ATOM 246 O ASP A 14 -6.509 -10.603 -7.154 1.00 0.00 O ATOM 247 CB ASP A 14 -8.105 -9.859 -4.422 1.00 0.00 C ATOM 248 CG ASP A 14 -7.823 -10.394 -3.034 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.612 -9.576 -2.113 1.00 0.00 O ATOM 250 OD2 ASP A 14 -7.812 -11.631 -2.865 1.00 0.00 O ATOM 0 H ASP A 14 -7.373 -7.504 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.984 -9.931 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.823 -9.042 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.569 -10.642 -5.022 1.00 0.00 H new ATOM 255 N PHE A 15 -7.581 -8.633 -7.317 1.00 0.00 N ATOM 256 CA PHE A 15 -7.766 -8.728 -8.760 1.00 0.00 C ATOM 257 C PHE A 15 -6.437 -8.602 -9.502 1.00 0.00 C ATOM 258 O PHE A 15 -6.165 -9.357 -10.437 1.00 0.00 O ATOM 259 CB PHE A 15 -8.733 -7.646 -9.243 1.00 0.00 C ATOM 260 CG PHE A 15 -9.006 -7.698 -10.720 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.342 -8.895 -11.334 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.923 -6.553 -11.496 1.00 0.00 C ATOM 263 CE1 PHE A 15 -9.591 -8.946 -12.692 1.00 0.00 C ATOM 264 CE2 PHE A 15 -9.171 -6.598 -12.854 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.506 -7.797 -13.453 1.00 0.00 C ATOM 0 H PHE A 15 -7.964 -7.786 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.185 -9.711 -8.976 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.675 -7.746 -8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.324 -6.667 -8.992 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.410 -9.797 -10.744 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.661 -5.613 -11.033 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.852 -9.885 -13.158 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.103 -5.698 -13.446 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.701 -7.836 -14.515 1.00 0.00 H new ATOM 275 N LEU A 16 -5.619 -7.639 -9.090 1.00 0.00 N ATOM 276 CA LEU A 16 -4.326 -7.413 -9.730 1.00 0.00 C ATOM 277 C LEU A 16 -3.245 -8.324 -9.151 1.00 0.00 C ATOM 278 O LEU A 16 -2.229 -8.580 -9.800 1.00 0.00 O ATOM 279 CB LEU A 16 -3.913 -5.944 -9.591 1.00 0.00 C ATOM 280 CG LEU A 16 -3.455 -5.521 -8.194 1.00 0.00 C ATOM 281 CD1 LEU A 16 -1.937 -5.528 -8.106 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.004 -4.145 -7.845 1.00 0.00 C ATOM 0 H LEU A 16 -5.826 -7.004 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.433 -7.655 -10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.106 -5.743 -10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.756 -5.318 -9.884 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.845 -6.239 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.629 -5.225 -7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.565 -6.532 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.527 -4.833 -8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.668 -3.861 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.645 -3.415 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.093 -4.172 -7.866 1.00 0.00 H new ATOM 294 N ILE A 17 -3.461 -8.815 -7.932 1.00 0.00 N ATOM 295 CA ILE A 17 -2.491 -9.695 -7.288 1.00 0.00 C ATOM 296 C ILE A 17 -3.033 -11.118 -7.158 1.00 0.00 C ATOM 297 O ILE A 17 -2.728 -11.982 -7.978 1.00 0.00 O ATOM 298 CB ILE A 17 -2.079 -9.168 -5.897 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.656 -7.698 -5.992 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.952 -10.016 -5.321 1.00 0.00 C ATOM 301 CD1 ILE A 17 -1.142 -7.129 -4.687 1.00 0.00 C ATOM 0 H ILE A 17 -4.293 -8.620 -7.375 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.608 -9.711 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.936 -9.238 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.880 -7.600 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.507 -7.105 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.673 -9.632 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.287 -11.049 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.089 -9.975 -5.986 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.862 -6.086 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.923 -7.194 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.271 -7.697 -4.360 1.00 0.00 H new ATOM 313 N GLU A 18 -3.840 -11.354 -6.127 1.00 0.00 N ATOM 314 CA GLU A 18 -4.427 -12.674 -5.893 1.00 0.00 C ATOM 315 C GLU A 18 -3.384 -13.677 -5.388 1.00 0.00 C ATOM 316 O GLU A 18 -3.700 -14.845 -5.167 1.00 0.00 O ATOM 317 CB GLU A 18 -5.082 -13.205 -7.172 1.00 0.00 C ATOM 318 CG GLU A 18 -6.419 -13.885 -6.931 1.00 0.00 C ATOM 319 CD GLU A 18 -6.809 -14.820 -8.058 1.00 0.00 C ATOM 320 OE1 GLU A 18 -7.049 -14.328 -9.181 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.873 -16.043 -7.818 1.00 0.00 O ATOM 0 H GLU A 18 -4.104 -10.649 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.187 -12.559 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.224 -12.378 -7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.405 -13.912 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.374 -14.446 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.192 -13.126 -6.810 1.00 0.00 H new ATOM 328 N ASN A 19 -2.145 -13.221 -5.210 1.00 0.00 N ATOM 329 CA ASN A 19 -1.074 -14.090 -4.737 1.00 0.00 C ATOM 330 C ASN A 19 -1.255 -14.440 -3.260 1.00 0.00 C ATOM 331 O ASN A 19 -0.690 -15.419 -2.773 1.00 0.00 O ATOM 332 CB ASN A 19 0.284 -13.419 -4.949 1.00 0.00 C ATOM 333 CG ASN A 19 0.627 -13.263 -6.417 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.131 -12.667 -7.183 1.00 0.00 O ATOM 335 ND2 ASN A 19 1.774 -13.798 -6.817 1.00 0.00 N ATOM 0 H ASN A 19 -1.861 -12.257 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.114 -15.014 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.280 -12.438 -4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.058 -14.009 -4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.058 -13.724 -7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.371 -14.283 -6.148 1.00 0.00 H new ATOM 342 N ASP A 20 -2.044 -13.635 -2.551 1.00 0.00 N ATOM 343 CA ASP A 20 -2.297 -13.861 -1.129 1.00 0.00 C ATOM 344 C ASP A 20 -1.085 -13.476 -0.289 1.00 0.00 C ATOM 345 O ASP A 20 -1.159 -12.580 0.553 1.00 0.00 O ATOM 346 CB ASP A 20 -2.666 -15.325 -0.871 1.00 0.00 C ATOM 347 CG ASP A 20 -3.753 -15.472 0.175 1.00 0.00 C ATOM 348 OD1 ASP A 20 -3.604 -14.893 1.271 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.754 -16.167 -0.101 1.00 0.00 O ATOM 0 H ASP A 20 -2.519 -12.820 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.135 -13.229 -0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.998 -15.783 -1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.778 -15.869 -0.547 1.00 0.00 H new ATOM 354 N ALA A 21 0.026 -14.160 -0.523 1.00 0.00 N ATOM 355 CA ALA A 21 1.259 -13.895 0.211 1.00 0.00 C ATOM 356 C ALA A 21 1.671 -12.431 0.084 1.00 0.00 C ATOM 357 O ALA A 21 2.173 -11.833 1.035 1.00 0.00 O ATOM 358 CB ALA A 21 2.373 -14.804 -0.285 1.00 0.00 C ATOM 0 H ALA A 21 0.101 -14.904 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 21 1.077 -14.103 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.287 -14.596 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.087 -15.845 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.545 -14.623 -1.346 1.00 0.00 H new ATOM 364 N GLU A 22 1.453 -11.863 -1.096 1.00 0.00 N ATOM 365 CA GLU A 22 1.799 -10.470 -1.348 1.00 0.00 C ATOM 366 C GLU A 22 0.952 -9.538 -0.490 1.00 0.00 C ATOM 367 O GLU A 22 1.445 -8.537 0.031 1.00 0.00 O ATOM 368 CB GLU A 22 1.610 -10.132 -2.828 1.00 0.00 C ATOM 369 CG GLU A 22 2.372 -11.056 -3.765 1.00 0.00 C ATOM 370 CD GLU A 22 3.803 -10.610 -3.988 1.00 0.00 C ATOM 371 OE1 GLU A 22 4.581 -10.596 -3.011 1.00 0.00 O ATOM 372 OE2 GLU A 22 4.146 -10.273 -5.141 1.00 0.00 O ATOM 0 H GLU A 22 1.038 -12.346 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 22 2.847 -10.329 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.548 -10.178 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.932 -9.105 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.370 -12.066 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.856 -11.101 -4.724 1.00 0.00 H new ATOM 379 N LYS A 23 -0.324 -9.877 -0.346 1.00 0.00 N ATOM 380 CA LYS A 23 -1.241 -9.073 0.452 1.00 0.00 C ATOM 381 C LYS A 23 -0.809 -9.059 1.913 1.00 0.00 C ATOM 382 O LYS A 23 -0.810 -8.013 2.560 1.00 0.00 O ATOM 383 CB LYS A 23 -2.666 -9.613 0.331 1.00 0.00 C ATOM 384 CG LYS A 23 -3.298 -9.350 -1.027 1.00 0.00 C ATOM 385 CD LYS A 23 -4.784 -9.668 -1.023 1.00 0.00 C ATOM 386 CE LYS A 23 -5.037 -11.160 -1.179 1.00 0.00 C ATOM 387 NZ LYS A 23 -5.511 -11.778 0.091 1.00 0.00 N ATOM 0 H LYS A 23 -0.746 -10.702 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.219 -8.051 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.657 -10.687 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.285 -9.160 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.149 -8.306 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.798 -9.953 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.229 -9.318 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.274 -9.128 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.779 -11.323 -1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.120 -11.652 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.672 -12.795 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.793 -11.645 0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.400 -11.326 0.386 1.00 0.00 H new ATOM 401 N ASP A 24 -0.427 -10.224 2.424 1.00 0.00 N ATOM 402 CA ASP A 24 0.021 -10.335 3.806 1.00 0.00 C ATOM 403 C ASP A 24 1.276 -9.498 4.016 1.00 0.00 C ATOM 404 O ASP A 24 1.462 -8.885 5.068 1.00 0.00 O ATOM 405 CB ASP A 24 0.299 -11.796 4.163 1.00 0.00 C ATOM 406 CG ASP A 24 -0.968 -12.631 4.207 1.00 0.00 C ATOM 407 OD1 ASP A 24 -1.743 -12.584 3.231 1.00 0.00 O ATOM 408 OD2 ASP A 24 -1.179 -13.333 5.218 1.00 0.00 O ATOM 0 H ASP A 24 -0.419 -11.101 1.904 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.769 -9.962 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.986 -12.222 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.796 -11.842 5.132 1.00 0.00 H new ATOM 413 N TYR A 25 2.127 -9.468 2.995 1.00 0.00 N ATOM 414 CA TYR A 25 3.361 -8.697 3.051 1.00 0.00 C ATOM 415 C TYR A 25 3.051 -7.208 3.130 1.00 0.00 C ATOM 416 O TYR A 25 3.467 -6.525 4.066 1.00 0.00 O ATOM 417 CB TYR A 25 4.220 -8.987 1.818 1.00 0.00 C ATOM 418 CG TYR A 25 5.701 -9.074 2.113 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.243 -10.201 2.718 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.556 -8.030 1.784 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.596 -10.284 2.988 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.910 -8.106 2.050 1.00 0.00 C ATOM 423 CZ TYR A 25 8.425 -9.234 2.654 1.00 0.00 C ATOM 424 OH TYR A 25 9.772 -9.313 2.920 1.00 0.00 O ATOM 0 H TYR A 25 1.983 -9.970 2.119 1.00 0.00 H new ATOM 0 HA TYR A 25 3.913 -8.989 3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.892 -9.925 1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.052 -8.205 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.597 -11.025 2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.156 -7.144 1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.002 -11.167 3.458 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.562 -7.286 1.786 1.00 0.00 H new ATOM 0 HH TYR A 25 10.213 -8.490 2.621 1.00 0.00 H new ATOM 434 N LEU A 26 2.307 -6.712 2.145 1.00 0.00 N ATOM 435 CA LEU A 26 1.931 -5.304 2.107 1.00 0.00 C ATOM 436 C LEU A 26 1.133 -4.923 3.350 1.00 0.00 C ATOM 437 O LEU A 26 1.170 -3.775 3.796 1.00 0.00 O ATOM 438 CB LEU A 26 1.122 -4.996 0.844 1.00 0.00 C ATOM 439 CG LEU A 26 -0.048 -5.936 0.565 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.310 -5.437 1.253 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.272 -6.068 -0.933 1.00 0.00 C ATOM 0 H LEU A 26 1.953 -7.264 1.364 1.00 0.00 H new ATOM 0 HA LEU A 26 2.845 -4.711 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.738 -3.979 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.796 -5.019 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 26 0.193 -6.920 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.133 -6.120 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.143 -5.390 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.559 -4.443 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.109 -6.741 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.494 -5.088 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.627 -6.470 -1.401 1.00 0.00 H new ATOM 453 N TYR A 27 0.416 -5.893 3.911 1.00 0.00 N ATOM 454 CA TYR A 27 -0.383 -5.657 5.106 1.00 0.00 C ATOM 455 C TYR A 27 0.518 -5.416 6.313 1.00 0.00 C ATOM 456 O TYR A 27 0.215 -4.590 7.173 1.00 0.00 O ATOM 457 CB TYR A 27 -1.309 -6.847 5.372 1.00 0.00 C ATOM 458 CG TYR A 27 -2.768 -6.553 5.106 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.269 -6.538 3.811 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.643 -6.289 6.152 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.602 -6.270 3.564 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.978 -6.020 5.914 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.452 -6.011 4.619 1.00 0.00 C ATOM 464 OH TYR A 27 -6.780 -5.744 4.379 1.00 0.00 O ATOM 0 H TYR A 27 0.373 -6.848 3.556 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.991 -4.768 4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.997 -7.685 4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.194 -7.161 6.410 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.606 -6.739 2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.275 -6.294 7.167 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.976 -6.263 2.551 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.646 -5.818 6.738 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.240 -5.585 5.229 1.00 0.00 H new ATOM 474 N ASP A 28 1.628 -6.143 6.362 1.00 0.00 N ATOM 475 CA ASP A 28 2.580 -6.009 7.458 1.00 0.00 C ATOM 476 C ASP A 28 3.282 -4.655 7.402 1.00 0.00 C ATOM 477 O ASP A 28 3.454 -3.991 8.425 1.00 0.00 O ATOM 478 CB ASP A 28 3.613 -7.138 7.403 1.00 0.00 C ATOM 479 CG ASP A 28 3.763 -7.848 8.735 1.00 0.00 C ATOM 480 OD1 ASP A 28 4.544 -7.365 9.579 1.00 0.00 O ATOM 481 OD2 ASP A 28 3.098 -8.887 8.930 1.00 0.00 O ATOM 0 H ASP A 28 1.891 -6.831 5.656 1.00 0.00 H new ATOM 0 HA ASP A 28 2.031 -6.075 8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.319 -7.859 6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.578 -6.730 7.101 1.00 0.00 H new ATOM 486 N VAL A 29 3.681 -4.250 6.201 1.00 0.00 N ATOM 487 CA VAL A 29 4.362 -2.975 6.012 1.00 0.00 C ATOM 488 C VAL A 29 3.476 -1.812 6.449 1.00 0.00 C ATOM 489 O VAL A 29 3.939 -0.884 7.110 1.00 0.00 O ATOM 490 CB VAL A 29 4.776 -2.768 4.541 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.598 -1.497 4.386 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.550 -3.975 4.030 1.00 0.00 C ATOM 0 H VAL A 29 3.544 -4.786 5.344 1.00 0.00 H new ATOM 0 HA VAL A 29 5.259 -3.000 6.631 1.00 0.00 H new ATOM 0 HB VAL A 29 3.871 -2.662 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.879 -1.371 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.007 -0.640 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.497 -1.569 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.834 -3.812 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.447 -4.114 4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.924 -4.865 4.099 1.00 0.00 H new ATOM 502 N LEU A 30 2.202 -1.872 6.079 1.00 0.00 N ATOM 503 CA LEU A 30 1.256 -0.823 6.438 1.00 0.00 C ATOM 504 C LEU A 30 1.068 -0.758 7.950 1.00 0.00 C ATOM 505 O LEU A 30 1.192 0.305 8.558 1.00 0.00 O ATOM 506 CB LEU A 30 -0.093 -1.064 5.755 1.00 0.00 C ATOM 507 CG LEU A 30 -0.181 -0.579 4.307 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.290 -1.311 3.566 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.409 0.925 4.262 1.00 0.00 C ATOM 0 H LEU A 30 1.801 -2.634 5.532 1.00 0.00 H new ATOM 0 HA LEU A 30 1.661 0.129 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.309 -2.132 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.871 -0.569 6.336 1.00 0.00 H new ATOM 0 HG LEU A 30 0.765 -0.798 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.338 -0.953 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.084 -2.381 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.243 -1.123 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.469 1.253 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.340 1.167 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.419 1.433 4.756 1.00 0.00 H new ATOM 521 N ARG A 31 0.771 -1.906 8.552 1.00 0.00 N ATOM 522 CA ARG A 31 0.566 -1.984 9.994 1.00 0.00 C ATOM 523 C ARG A 31 1.805 -1.506 10.745 1.00 0.00 C ATOM 524 O ARG A 31 1.701 -0.855 11.784 1.00 0.00 O ATOM 525 CB ARG A 31 0.227 -3.418 10.404 1.00 0.00 C ATOM 526 CG ARG A 31 -0.851 -3.506 11.474 1.00 0.00 C ATOM 527 CD ARG A 31 -2.032 -4.344 11.012 1.00 0.00 C ATOM 528 NE ARG A 31 -3.003 -3.553 10.259 1.00 0.00 N ATOM 529 CZ ARG A 31 -3.761 -2.600 10.799 1.00 0.00 C ATOM 530 NH1 ARG A 31 -3.659 -2.315 12.091 1.00 0.00 N ATOM 531 NH2 ARG A 31 -4.621 -1.930 10.044 1.00 0.00 N ATOM 0 H ARG A 31 0.667 -2.795 8.063 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.268 -1.333 10.255 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.100 -3.971 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.131 -3.906 10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.429 -3.939 12.381 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.194 -2.503 11.729 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.673 -5.165 10.391 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.521 -4.790 11.878 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.106 -3.742 9.262 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.998 -2.827 12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.242 -1.584 12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.702 -2.144 9.050 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.202 -1.200 10.457 1.00 0.00 H new ATOM 545 N MET A 32 2.975 -1.834 10.209 1.00 0.00 N ATOM 546 CA MET A 32 4.236 -1.438 10.825 1.00 0.00 C ATOM 547 C MET A 32 4.570 0.012 10.483 1.00 0.00 C ATOM 548 O MET A 32 5.205 0.714 11.269 1.00 0.00 O ATOM 549 CB MET A 32 5.367 -2.360 10.364 1.00 0.00 C ATOM 550 CG MET A 32 5.701 -3.455 11.364 1.00 0.00 C ATOM 551 SD MET A 32 7.325 -4.187 11.075 1.00 0.00 S ATOM 552 CE MET A 32 8.366 -2.731 11.123 1.00 0.00 C ATOM 0 H MET A 32 3.077 -2.373 9.349 1.00 0.00 H new ATOM 0 HA MET A 32 4.130 -1.524 11.906 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.088 -2.818 9.415 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.260 -1.763 10.179 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.666 -3.044 12.373 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.941 -4.234 11.311 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.402 -3.030 11.281 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.283 -2.193 10.178 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.047 -2.082 11.939 1.00 0.00 H new ATOM 562 N TYR A 33 4.136 0.451 9.307 1.00 0.00 N ATOM 563 CA TYR A 33 4.385 1.816 8.861 1.00 0.00 C ATOM 564 C TYR A 33 3.721 2.817 9.800 1.00 0.00 C ATOM 565 O TYR A 33 4.256 3.898 10.051 1.00 0.00 O ATOM 566 CB TYR A 33 3.869 2.011 7.433 1.00 0.00 C ATOM 567 CG TYR A 33 3.990 3.432 6.928 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.206 4.101 6.963 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.886 4.104 6.417 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.321 5.400 6.505 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.993 5.403 5.956 1.00 0.00 C ATOM 572 CZ TYR A 33 4.211 6.046 6.002 1.00 0.00 C ATOM 573 OH TYR A 33 4.320 7.339 5.544 1.00 0.00 O ATOM 0 H TYR A 33 3.610 -0.119 8.645 1.00 0.00 H new ATOM 0 HA TYR A 33 5.461 1.990 8.873 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.420 1.350 6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.823 1.708 7.390 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.077 3.598 7.355 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.930 3.604 6.379 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.274 5.906 6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.126 5.912 5.562 1.00 0.00 H new ATOM 0 HH TYR A 33 4.013 7.959 6.238 1.00 0.00 H new ATOM 583 N HIS A 34 2.552 2.451 10.313 1.00 0.00 N ATOM 584 CA HIS A 34 1.814 3.316 11.225 1.00 0.00 C ATOM 585 C HIS A 34 2.477 3.356 12.597 1.00 0.00 C ATOM 586 O HIS A 34 2.544 4.407 13.235 1.00 0.00 O ATOM 587 CB HIS A 34 0.367 2.833 11.358 1.00 0.00 C ATOM 588 CG HIS A 34 -0.447 3.041 10.120 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.580 2.307 9.831 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.291 3.910 9.091 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.081 2.714 8.678 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.320 3.685 8.211 1.00 0.00 N ATOM 0 H HIS A 34 2.095 1.561 10.113 1.00 0.00 H new ATOM 0 HA HIS A 34 1.818 4.325 10.812 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.368 1.772 11.609 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.108 3.356 12.188 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.496 4.642 8.984 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.964 2.318 8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -1.472 4.188 7.337 1.00 0.00 H new ATOM 601 N GLN A 35 2.966 2.205 13.048 1.00 0.00 N ATOM 602 CA GLN A 35 3.623 2.108 14.344 1.00 0.00 C ATOM 603 C GLN A 35 5.021 2.717 14.298 1.00 0.00 C ATOM 604 O GLN A 35 5.405 3.482 15.180 1.00 0.00 O ATOM 605 CB GLN A 35 3.703 0.647 14.793 1.00 0.00 C ATOM 606 CG GLN A 35 2.540 0.215 15.669 1.00 0.00 C ATOM 607 CD GLN A 35 2.795 -1.105 16.370 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.698 -2.171 15.765 1.00 0.00 O ATOM 609 NE2 GLN A 35 3.123 -1.037 17.655 1.00 0.00 N ATOM 0 H GLN A 35 2.919 1.326 12.533 1.00 0.00 H new ATOM 0 HA GLN A 35 3.028 2.670 15.064 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.741 0.006 13.912 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.634 0.494 15.338 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.346 0.986 16.414 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.642 0.129 15.057 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.192 -0.130 18.116 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.306 -1.892 18.181 1.00 0.00 H new ATOM 618 N THR A 36 5.773 2.368 13.263 1.00 0.00 N ATOM 619 CA THR A 36 7.131 2.875 13.097 1.00 0.00 C ATOM 620 C THR A 36 7.124 4.297 12.544 1.00 0.00 C ATOM 621 O THR A 36 7.920 5.139 12.959 1.00 0.00 O ATOM 622 CB THR A 36 7.929 1.958 12.167 1.00 0.00 C ATOM 623 OG1 THR A 36 7.388 1.979 10.857 1.00 0.00 O ATOM 624 CG2 THR A 36 7.958 0.518 12.628 1.00 0.00 C ATOM 0 H THR A 36 5.466 1.735 12.524 1.00 0.00 H new ATOM 0 HA THR A 36 7.605 2.892 14.078 1.00 0.00 H new ATOM 0 HB THR A 36 8.947 2.348 12.180 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.649 1.338 10.798 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.540 -0.078 11.924 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.415 0.461 13.616 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.940 0.131 12.676 1.00 0.00 H new ATOM 632 N MET A 37 6.221 4.558 11.603 1.00 0.00 N ATOM 633 CA MET A 37 6.113 5.880 10.991 1.00 0.00 C ATOM 634 C MET A 37 7.365 6.211 10.184 1.00 0.00 C ATOM 635 O MET A 37 7.913 7.309 10.291 1.00 0.00 O ATOM 636 CB MET A 37 5.881 6.948 12.063 1.00 0.00 C ATOM 637 CG MET A 37 4.804 6.574 13.069 1.00 0.00 C ATOM 638 SD MET A 37 3.687 7.943 13.435 1.00 0.00 S ATOM 639 CE MET A 37 2.482 7.755 12.123 1.00 0.00 C ATOM 0 H MET A 37 5.554 3.873 11.248 1.00 0.00 H new ATOM 0 HA MET A 37 5.260 5.869 10.313 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.816 7.128 12.594 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.605 7.884 11.578 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.228 5.734 12.682 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.276 6.239 13.993 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.722 8.531 12.213 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.979 7.844 11.157 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.011 6.775 12.200 1.00 0.00 H new ATOM 649 N ASP A 38 7.813 5.256 9.376 1.00 0.00 N ATOM 650 CA ASP A 38 9.001 5.447 8.549 1.00 0.00 C ATOM 651 C ASP A 38 8.653 5.346 7.067 1.00 0.00 C ATOM 652 O ASP A 38 8.475 4.251 6.534 1.00 0.00 O ATOM 653 CB ASP A 38 10.068 4.411 8.908 1.00 0.00 C ATOM 654 CG ASP A 38 10.958 4.868 10.046 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.301 6.068 10.087 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.316 4.025 10.896 1.00 0.00 O ATOM 0 H ASP A 38 7.372 4.342 9.276 1.00 0.00 H new ATOM 0 HA ASP A 38 9.394 6.445 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.583 3.475 9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.681 4.206 8.031 1.00 0.00 H new ATOM 661 N VAL A 39 8.561 6.495 6.407 1.00 0.00 N ATOM 662 CA VAL A 39 8.235 6.537 4.985 1.00 0.00 C ATOM 663 C VAL A 39 9.318 5.859 4.153 1.00 0.00 C ATOM 664 O VAL A 39 9.022 5.155 3.188 1.00 0.00 O ATOM 665 CB VAL A 39 8.056 7.984 4.491 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.519 8.001 3.069 1.00 0.00 C ATOM 667 CG2 VAL A 39 7.140 8.759 5.426 1.00 0.00 C ATOM 0 H VAL A 39 8.707 7.410 6.833 1.00 0.00 H new ATOM 0 HA VAL A 39 7.294 6.000 4.861 1.00 0.00 H new ATOM 0 HB VAL A 39 9.031 8.471 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.399 9.032 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.218 7.487 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.554 7.496 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.026 9.779 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.164 8.275 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.573 8.778 6.426 1.00 0.00 H new ATOM 677 N ALA A 40 10.572 6.075 4.536 1.00 0.00 N ATOM 678 CA ALA A 40 11.700 5.486 3.825 1.00 0.00 C ATOM 679 C ALA A 40 11.611 3.964 3.815 1.00 0.00 C ATOM 680 O ALA A 40 11.855 3.322 2.793 1.00 0.00 O ATOM 681 CB ALA A 40 13.010 5.935 4.452 1.00 0.00 C ATOM 0 H ALA A 40 10.832 6.654 5.335 1.00 0.00 H new ATOM 0 HA ALA A 40 11.666 5.832 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.844 5.488 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.085 7.021 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.042 5.618 5.494 1.00 0.00 H new ATOM 687 N VAL A 41 11.261 3.390 4.963 1.00 0.00 N ATOM 688 CA VAL A 41 11.140 1.943 5.088 1.00 0.00 C ATOM 689 C VAL A 41 9.912 1.428 4.345 1.00 0.00 C ATOM 690 O VAL A 41 9.937 0.345 3.759 1.00 0.00 O ATOM 691 CB VAL A 41 11.050 1.514 6.565 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.076 -0.001 6.688 1.00 0.00 C ATOM 693 CG2 VAL A 41 12.178 2.140 7.373 1.00 0.00 C ATOM 0 H VAL A 41 11.057 3.906 5.819 1.00 0.00 H new ATOM 0 HA VAL A 41 12.037 1.510 4.645 1.00 0.00 H new ATOM 0 HB VAL A 41 10.102 1.870 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.011 -0.282 7.739 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.230 -0.425 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.005 -0.384 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.098 1.826 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.138 1.817 6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.107 3.226 7.316 1.00 0.00 H new ATOM 703 N LEU A 42 8.839 2.209 4.375 1.00 0.00 N ATOM 704 CA LEU A 42 7.598 1.834 3.707 1.00 0.00 C ATOM 705 C LEU A 42 7.807 1.704 2.200 1.00 0.00 C ATOM 706 O LEU A 42 7.436 0.697 1.598 1.00 0.00 O ATOM 707 CB LEU A 42 6.508 2.868 3.996 1.00 0.00 C ATOM 708 CG LEU A 42 5.171 2.613 3.299 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.305 1.680 4.131 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.448 3.926 3.042 1.00 0.00 C ATOM 0 H LEU A 42 8.803 3.108 4.856 1.00 0.00 H new ATOM 0 HA LEU A 42 7.283 0.865 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.338 2.903 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.873 3.851 3.699 1.00 0.00 H new ATOM 0 HG LEU A 42 5.367 2.134 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.358 1.510 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.820 0.729 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.115 2.131 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.498 3.727 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.263 4.431 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.064 4.562 2.406 1.00 0.00 H new ATOM 722 N VAL A 43 8.400 2.729 1.598 1.00 0.00 N ATOM 723 CA VAL A 43 8.656 2.730 0.161 1.00 0.00 C ATOM 724 C VAL A 43 9.487 1.518 -0.251 1.00 0.00 C ATOM 725 O VAL A 43 9.195 0.866 -1.254 1.00 0.00 O ATOM 726 CB VAL A 43 9.386 4.013 -0.280 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.512 4.064 -1.796 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.667 5.247 0.246 1.00 0.00 C ATOM 0 H VAL A 43 8.713 3.570 2.082 1.00 0.00 H new ATOM 0 HA VAL A 43 7.685 2.686 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 43 10.390 4.000 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.030 4.978 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.077 3.199 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.519 4.052 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.198 6.143 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.649 5.269 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.638 5.215 1.335 1.00 0.00 H new ATOM 738 N GLY A 44 10.523 1.225 0.527 1.00 0.00 N ATOM 739 CA GLY A 44 11.383 0.095 0.226 1.00 0.00 C ATOM 740 C GLY A 44 10.623 -1.215 0.139 1.00 0.00 C ATOM 741 O GLY A 44 10.688 -1.911 -0.874 1.00 0.00 O ATOM 0 H GLY A 44 10.783 1.750 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.896 0.276 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.151 0.014 0.995 1.00 0.00 H new ATOM 745 N ASP A 45 9.903 -1.554 1.205 1.00 0.00 N ATOM 746 CA ASP A 45 9.132 -2.792 1.244 1.00 0.00 C ATOM 747 C ASP A 45 8.117 -2.843 0.106 1.00 0.00 C ATOM 748 O ASP A 45 8.104 -3.789 -0.684 1.00 0.00 O ATOM 749 CB ASP A 45 8.416 -2.929 2.588 1.00 0.00 C ATOM 750 CG ASP A 45 9.371 -2.866 3.763 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.399 -3.577 3.730 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.095 -2.107 4.715 1.00 0.00 O ATOM 0 H ASP A 45 9.838 -0.989 2.052 1.00 0.00 H new ATOM 0 HA ASP A 45 9.826 -3.624 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.675 -2.136 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.876 -3.875 2.613 1.00 0.00 H new ATOM 757 N LEU A 46 7.266 -1.824 0.029 1.00 0.00 N ATOM 758 CA LEU A 46 6.246 -1.755 -1.012 1.00 0.00 C ATOM 759 C LEU A 46 6.859 -1.918 -2.399 1.00 0.00 C ATOM 760 O LEU A 46 6.195 -2.371 -3.332 1.00 0.00 O ATOM 761 CB LEU A 46 5.490 -0.426 -0.925 1.00 0.00 C ATOM 762 CG LEU A 46 4.167 -0.486 -0.155 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.302 0.190 1.201 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.048 0.156 -0.961 1.00 0.00 C ATOM 0 H LEU A 46 7.263 -1.035 0.675 1.00 0.00 H new ATOM 0 HA LEU A 46 5.547 -2.576 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.136 0.313 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.289 -0.072 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 46 3.916 -1.534 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.351 0.136 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.072 -0.315 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.580 1.235 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.117 0.103 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.294 1.199 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.930 -0.374 -1.906 1.00 0.00 H new ATOM 776 N LYS A 47 8.129 -1.548 -2.532 1.00 0.00 N ATOM 777 CA LYS A 47 8.823 -1.659 -3.809 1.00 0.00 C ATOM 778 C LYS A 47 9.156 -3.115 -4.121 1.00 0.00 C ATOM 779 O LYS A 47 8.868 -3.608 -5.211 1.00 0.00 O ATOM 780 CB LYS A 47 10.106 -0.825 -3.790 1.00 0.00 C ATOM 781 CG LYS A 47 10.562 -0.380 -5.170 1.00 0.00 C ATOM 782 CD LYS A 47 11.780 0.528 -5.088 1.00 0.00 C ATOM 783 CE LYS A 47 11.654 1.717 -6.025 1.00 0.00 C ATOM 784 NZ LYS A 47 11.879 1.334 -7.445 1.00 0.00 N ATOM 0 H LYS A 47 8.696 -1.170 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 47 8.162 -1.280 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.948 0.055 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.901 -1.407 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.799 -1.255 -5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.749 0.145 -5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.903 0.882 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.676 -0.040 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.662 2.157 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.374 2.483 -5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.784 2.174 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.835 0.938 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.176 0.622 -7.728 1.00 0.00 H new ATOM 798 N LEU A 48 9.766 -3.796 -3.157 1.00 0.00 N ATOM 799 CA LEU A 48 10.141 -5.195 -3.327 1.00 0.00 C ATOM 800 C LEU A 48 8.926 -6.057 -3.667 1.00 0.00 C ATOM 801 O LEU A 48 9.037 -7.039 -4.400 1.00 0.00 O ATOM 802 CB LEU A 48 10.808 -5.721 -2.054 1.00 0.00 C ATOM 803 CG LEU A 48 11.979 -4.879 -1.541 1.00 0.00 C ATOM 804 CD1 LEU A 48 11.983 -4.836 -0.020 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.297 -5.428 -2.067 1.00 0.00 C ATOM 0 H LEU A 48 10.011 -3.401 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 48 10.846 -5.254 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.056 -5.786 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.163 -6.735 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 48 11.859 -3.860 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.823 -4.233 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.051 -4.396 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.078 -5.848 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.120 -4.819 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.424 -6.456 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.293 -5.403 -3.157 1.00 0.00 H new ATOM 817 N VAL A 49 7.772 -5.686 -3.124 1.00 0.00 N ATOM 818 CA VAL A 49 6.542 -6.430 -3.366 1.00 0.00 C ATOM 819 C VAL A 49 5.814 -5.913 -4.605 1.00 0.00 C ATOM 820 O VAL A 49 5.361 -6.694 -5.443 1.00 0.00 O ATOM 821 CB VAL A 49 5.606 -6.371 -2.134 1.00 0.00 C ATOM 822 CG1 VAL A 49 4.700 -5.148 -2.164 1.00 0.00 C ATOM 823 CG2 VAL A 49 4.786 -7.648 -2.025 1.00 0.00 C ATOM 0 H VAL A 49 7.663 -4.876 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 49 6.820 -7.469 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 49 6.236 -6.283 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.061 -5.147 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.309 -4.244 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.081 -5.176 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.134 -7.589 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.181 -7.770 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.455 -8.502 -1.920 1.00 0.00 H new ATOM 833 N ILE A 50 5.710 -4.594 -4.714 1.00 0.00 N ATOM 834 CA ILE A 50 5.040 -3.969 -5.853 1.00 0.00 C ATOM 835 C ILE A 50 6.011 -3.726 -7.011 1.00 0.00 C ATOM 836 O ILE A 50 5.702 -2.984 -7.944 1.00 0.00 O ATOM 837 CB ILE A 50 4.380 -2.629 -5.460 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.514 -2.807 -4.211 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.548 -2.086 -6.613 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.818 -1.538 -3.768 1.00 0.00 C ATOM 0 H ILE A 50 6.080 -3.935 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 50 4.266 -4.666 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 50 5.167 -1.909 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.764 -3.573 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.138 -3.172 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.090 -1.142 -6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.189 -1.924 -7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.768 -2.803 -6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.223 -1.741 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.563 -0.775 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.167 -1.183 -4.566 1.00 0.00 H new ATOM 852 N ASN A 51 7.183 -4.353 -6.952 1.00 0.00 N ATOM 853 CA ASN A 51 8.189 -4.198 -7.999 1.00 0.00 C ATOM 854 C ASN A 51 7.612 -4.554 -9.367 1.00 0.00 C ATOM 855 O ASN A 51 7.908 -3.899 -10.366 1.00 0.00 O ATOM 856 CB ASN A 51 9.405 -5.078 -7.702 1.00 0.00 C ATOM 857 CG ASN A 51 9.022 -6.515 -7.410 1.00 0.00 C ATOM 858 OD1 ASN A 51 7.842 -6.841 -7.275 1.00 0.00 O ATOM 859 ND2 ASN A 51 10.021 -7.385 -7.310 1.00 0.00 N ATOM 0 H ASN A 51 7.459 -4.973 -6.191 1.00 0.00 H new ATOM 0 HA ASN A 51 8.500 -3.153 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.085 -5.052 -8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.946 -4.669 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.825 -8.367 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.984 -7.071 -7.429 1.00 0.00 H new ATOM 866 N GLU A 52 6.785 -5.593 -9.401 1.00 0.00 N ATOM 867 CA GLU A 52 6.163 -6.040 -10.638 1.00 0.00 C ATOM 868 C GLU A 52 5.380 -4.904 -11.292 1.00 0.00 C ATOM 869 O GLU A 52 4.386 -4.432 -10.744 1.00 0.00 O ATOM 870 CB GLU A 52 5.230 -7.223 -10.367 1.00 0.00 C ATOM 871 CG GLU A 52 5.876 -8.332 -9.552 1.00 0.00 C ATOM 872 CD GLU A 52 5.524 -9.715 -10.067 1.00 0.00 C ATOM 873 OE1 GLU A 52 5.402 -9.875 -11.299 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.371 -10.635 -9.238 1.00 0.00 O ATOM 0 H GLU A 52 6.530 -6.143 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 52 6.953 -6.357 -11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.345 -6.864 -9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.891 -7.633 -11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.959 -8.207 -9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.561 -8.244 -8.512 1.00 0.00 H new ATOM 881 N PRO A 53 5.823 -4.444 -12.475 1.00 0.00 N ATOM 882 CA PRO A 53 5.165 -3.359 -13.204 1.00 0.00 C ATOM 883 C PRO A 53 3.642 -3.475 -13.188 1.00 0.00 C ATOM 884 O PRO A 53 2.932 -2.470 -13.224 1.00 0.00 O ATOM 885 CB PRO A 53 5.701 -3.531 -14.623 1.00 0.00 C ATOM 886 CG PRO A 53 7.062 -4.108 -14.442 1.00 0.00 C ATOM 887 CD PRO A 53 7.008 -4.949 -13.190 1.00 0.00 C ATOM 0 HA PRO A 53 5.371 -2.384 -12.763 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.064 -4.193 -15.210 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.741 -2.578 -15.150 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.345 -4.713 -15.304 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.808 -3.319 -14.348 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.911 -6.009 -13.425 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.913 -4.836 -12.593 1.00 0.00 H new ATOM 895 N SER A 54 3.146 -4.707 -13.131 1.00 0.00 N ATOM 896 CA SER A 54 1.708 -4.953 -13.109 1.00 0.00 C ATOM 897 C SER A 54 1.089 -4.457 -11.803 1.00 0.00 C ATOM 898 O SER A 54 -0.070 -4.044 -11.770 1.00 0.00 O ATOM 899 CB SER A 54 1.421 -6.444 -13.287 1.00 0.00 C ATOM 900 OG SER A 54 0.267 -6.652 -14.083 1.00 0.00 O ATOM 0 H SER A 54 3.718 -5.551 -13.099 1.00 0.00 H new ATOM 0 HA SER A 54 1.259 -4.402 -13.935 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.279 -6.929 -13.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.282 -6.909 -12.311 1.00 0.00 H new ATOM 0 HG SER A 54 0.107 -7.614 -14.182 1.00 0.00 H new ATOM 906 N ARG A 55 1.872 -4.506 -10.730 1.00 0.00 N ATOM 907 CA ARG A 55 1.407 -4.066 -9.418 1.00 0.00 C ATOM 908 C ARG A 55 1.660 -2.574 -9.201 1.00 0.00 C ATOM 909 O ARG A 55 1.286 -2.020 -8.168 1.00 0.00 O ATOM 910 CB ARG A 55 2.104 -4.870 -8.317 1.00 0.00 C ATOM 911 CG ARG A 55 2.062 -6.372 -8.534 1.00 0.00 C ATOM 912 CD ARG A 55 2.928 -7.104 -7.521 1.00 0.00 C ATOM 913 NE ARG A 55 2.363 -8.400 -7.152 1.00 0.00 N ATOM 914 CZ ARG A 55 2.301 -9.443 -7.976 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.770 -9.348 -9.214 1.00 0.00 N ATOM 916 NH2 ARG A 55 1.770 -10.584 -7.561 1.00 0.00 N ATOM 0 H ARG A 55 2.833 -4.847 -10.743 1.00 0.00 H new ATOM 0 HA ARG A 55 0.331 -4.237 -9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.144 -4.551 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.637 -4.638 -7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.033 -6.724 -8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.404 -6.605 -9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.926 -7.248 -7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.039 -6.489 -6.628 1.00 0.00 H new ATOM 0 HE ARG A 55 1.995 -8.512 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.181 -8.472 -9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.720 -10.151 -9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.409 -10.662 -6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.722 -11.384 -8.192 1.00 0.00 H new ATOM 930 N LEU A 56 2.300 -1.925 -10.172 1.00 0.00 N ATOM 931 CA LEU A 56 2.601 -0.500 -10.067 1.00 0.00 C ATOM 932 C LEU A 56 1.342 0.314 -9.757 1.00 0.00 C ATOM 933 O LEU A 56 1.342 1.140 -8.844 1.00 0.00 O ATOM 934 CB LEU A 56 3.251 0.008 -11.357 1.00 0.00 C ATOM 935 CG LEU A 56 4.769 -0.166 -11.425 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.280 0.142 -12.824 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.453 0.725 -10.399 1.00 0.00 C ATOM 0 H LEU A 56 2.619 -2.362 -11.037 1.00 0.00 H new ATOM 0 HA LEU A 56 3.301 -0.370 -9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.802 -0.513 -12.203 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.016 1.066 -11.473 1.00 0.00 H new ATOM 0 HG LEU A 56 5.007 -1.204 -11.194 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.362 0.013 -12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.814 -0.536 -13.539 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.030 1.171 -13.084 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.533 0.589 -10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.207 1.767 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.110 0.458 -9.399 1.00 0.00 H new ATOM 949 N PRO A 57 0.246 0.094 -10.508 1.00 0.00 N ATOM 950 CA PRO A 57 -1.012 0.818 -10.292 1.00 0.00 C ATOM 951 C PRO A 57 -1.509 0.700 -8.854 1.00 0.00 C ATOM 952 O PRO A 57 -2.253 1.554 -8.372 1.00 0.00 O ATOM 953 CB PRO A 57 -1.992 0.132 -11.250 1.00 0.00 C ATOM 954 CG PRO A 57 -1.135 -0.481 -12.301 1.00 0.00 C ATOM 955 CD PRO A 57 0.144 -0.872 -11.619 1.00 0.00 C ATOM 0 HA PRO A 57 -0.899 1.887 -10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.585 -0.623 -10.734 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.692 0.849 -11.679 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.622 -1.350 -12.743 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.946 0.225 -13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.109 -1.899 -11.257 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.997 -0.801 -12.293 1.00 0.00 H new ATOM 963 N LEU A 58 -1.095 -0.366 -8.174 1.00 0.00 N ATOM 964 CA LEU A 58 -1.500 -0.600 -6.792 1.00 0.00 C ATOM 965 C LEU A 58 -1.092 0.564 -5.894 1.00 0.00 C ATOM 966 O LEU A 58 -1.799 0.902 -4.946 1.00 0.00 O ATOM 967 CB LEU A 58 -0.882 -1.899 -6.272 1.00 0.00 C ATOM 968 CG LEU A 58 -1.358 -2.335 -4.886 1.00 0.00 C ATOM 969 CD1 LEU A 58 -2.732 -2.983 -4.972 1.00 0.00 C ATOM 970 CD2 LEU A 58 -0.357 -3.288 -4.254 1.00 0.00 C ATOM 0 H LEU A 58 -0.479 -1.082 -8.559 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.586 -0.685 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.101 -2.697 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.202 -1.783 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.435 -1.450 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.054 -3.287 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.446 -2.269 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.682 -3.858 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.712 -3.588 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.247 -4.171 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.608 -2.790 -4.156 1.00 0.00 H new ATOM 982 N PHE A 59 0.053 1.173 -6.196 1.00 0.00 N ATOM 983 CA PHE A 59 0.556 2.298 -5.411 1.00 0.00 C ATOM 984 C PHE A 59 -0.523 3.360 -5.214 1.00 0.00 C ATOM 985 O PHE A 59 -0.630 3.964 -4.144 1.00 0.00 O ATOM 986 CB PHE A 59 1.777 2.917 -6.095 1.00 0.00 C ATOM 987 CG PHE A 59 3.079 2.296 -5.680 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.691 2.665 -4.493 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.693 1.342 -6.477 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.890 2.095 -4.107 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.892 0.769 -6.097 1.00 0.00 C ATOM 992 CZ PHE A 59 5.490 1.146 -4.912 1.00 0.00 C ATOM 0 H PHE A 59 0.650 0.906 -6.979 1.00 0.00 H new ATOM 0 HA PHE A 59 0.846 1.920 -4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.666 2.820 -7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.806 3.984 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.226 3.407 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.229 1.043 -7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.356 2.391 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.360 0.027 -6.727 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.427 0.699 -4.614 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.327 3.578 -6.251 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.401 4.562 -6.191 1.00 0.00 C ATOM 1004 C ASP A 60 -3.300 4.302 -4.987 1.00 0.00 C ATOM 1005 O ASP A 60 -3.657 5.223 -4.256 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.228 4.529 -7.477 1.00 0.00 C ATOM 1007 CG ASP A 60 -4.211 5.678 -7.562 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -3.790 6.792 -7.938 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -5.403 5.464 -7.254 1.00 0.00 O ATOM 0 H ASP A 60 -1.254 3.086 -7.142 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.953 5.550 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.559 4.563 -8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.771 3.585 -7.532 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.653 3.038 -4.792 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.502 2.636 -3.676 1.00 0.00 C ATOM 1016 C ALA A 61 -3.754 2.719 -2.349 1.00 0.00 C ATOM 1017 O ALA A 61 -4.362 2.903 -1.294 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.028 1.227 -3.903 1.00 0.00 C ATOM 0 H ALA A 61 -3.363 2.269 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.344 3.327 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.661 0.935 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.610 1.200 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.190 0.534 -3.983 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.431 2.585 -2.405 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.608 2.647 -1.202 1.00 0.00 C ATOM 1026 C ILE A 62 -1.625 4.047 -0.592 1.00 0.00 C ATOM 1027 O ILE A 62 -1.578 4.201 0.628 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.149 2.239 -1.490 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.105 0.862 -2.156 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.673 2.239 -0.207 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.594 -0.257 -1.263 1.00 0.00 C ATOM 0 H ILE A 62 -1.908 2.433 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.038 1.940 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 62 0.286 2.969 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.712 0.885 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.919 0.649 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.699 1.948 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.666 3.238 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.242 1.531 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.535 -1.204 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.028 -0.307 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.628 -0.067 -0.975 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.689 5.064 -1.447 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.708 6.449 -0.981 1.00 0.00 C ATOM 1045 C ARG A 63 -2.879 6.689 -0.023 1.00 0.00 C ATOM 1046 O ARG A 63 -2.677 7.066 1.131 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.799 7.409 -2.169 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.452 7.958 -2.611 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.488 8.436 -4.054 1.00 0.00 C ATOM 1050 NE ARG A 63 0.201 7.512 -4.954 1.00 0.00 N ATOM 1051 CZ ARG A 63 0.014 7.481 -6.271 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -0.837 8.319 -6.848 1.00 0.00 N ATOM 1053 NH2 ARG A 63 0.681 6.608 -7.014 1.00 0.00 N ATOM 0 H ARG A 63 -1.728 4.957 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.779 6.636 -0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.265 6.892 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.452 8.241 -1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.164 8.784 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.310 7.186 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.524 8.548 -4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.025 9.421 -4.122 1.00 0.00 H new ATOM 0 HE ARG A 63 0.864 6.852 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.353 8.992 -6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.976 8.290 -7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.337 5.961 -6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.538 6.583 -8.024 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.120 6.466 -0.494 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.331 6.648 0.311 1.00 0.00 C ATOM 1069 C PRO A 64 -5.155 6.199 1.762 1.00 0.00 C ATOM 1070 O PRO A 64 -5.501 6.927 2.691 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.338 5.754 -0.407 1.00 0.00 C ATOM 1072 CG PRO A 64 -5.939 5.822 -1.840 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.444 6.014 -1.859 1.00 0.00 C ATOM 0 HA PRO A 64 -5.625 7.695 0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.299 4.731 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.358 6.108 -0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.220 4.909 -2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.443 6.647 -2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.927 5.087 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.147 6.752 -2.604 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.609 5.001 1.943 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.381 4.461 3.278 1.00 0.00 C ATOM 1083 C LEU A 65 -3.333 5.290 4.006 1.00 0.00 C ATOM 1084 O LEU A 65 -3.467 5.587 5.193 1.00 0.00 O ATOM 1085 CB LEU A 65 -3.932 3.001 3.192 1.00 0.00 C ATOM 1086 CG LEU A 65 -5.050 2.000 2.892 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.675 1.111 1.716 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.355 1.155 4.121 1.00 0.00 C ATOM 0 H LEU A 65 -4.317 4.387 1.183 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.316 4.505 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.170 2.915 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.460 2.725 4.135 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.946 2.560 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.484 0.407 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.508 1.727 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.764 0.561 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.152 0.449 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.460 0.607 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.671 1.803 4.939 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.293 5.662 3.273 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.210 6.462 3.821 1.00 0.00 C ATOM 1102 C ILE A 66 -1.727 7.831 4.274 1.00 0.00 C ATOM 1103 O ILE A 66 -2.581 8.428 3.619 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.083 6.631 2.772 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.982 5.552 2.964 1.00 0.00 C ATOM 1106 CG2 ILE A 66 0.546 8.013 2.844 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.651 5.126 1.674 1.00 0.00 C ATOM 0 H ILE A 66 -2.178 5.419 2.289 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.804 5.944 4.690 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.528 6.522 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.742 5.921 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.524 4.680 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.332 8.094 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.216 8.770 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.973 8.167 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.395 4.358 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.902 4.726 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.138 5.986 1.215 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.215 8.346 5.409 1.00 0.00 N ATOM 1120 CA PRO A 67 -1.633 9.647 5.947 1.00 0.00 C ATOM 1121 C PRO A 67 -1.619 10.753 4.894 1.00 0.00 C ATOM 1122 O PRO A 67 -0.924 10.654 3.884 1.00 0.00 O ATOM 1123 CB PRO A 67 -0.593 9.928 7.031 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.146 8.581 7.478 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.193 7.702 6.256 1.00 0.00 C ATOM 0 HA PRO A 67 -2.660 9.624 6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.240 10.513 6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.023 10.497 7.855 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.862 8.621 7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.797 8.194 8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.774 7.658 5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.468 6.678 6.508 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.394 11.806 5.143 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.478 12.939 4.215 1.00 0.00 C ATOM 1135 C LEU A 68 -1.085 13.439 3.838 1.00 0.00 C ATOM 1136 O LEU A 68 -0.620 13.224 2.719 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.304 14.101 4.800 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.869 13.897 6.210 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.754 13.917 7.245 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.904 14.967 6.524 1.00 0.00 C ATOM 0 H LEU A 68 -2.973 11.902 5.977 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.985 12.578 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.678 14.993 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.136 14.302 4.125 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.353 12.921 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.177 13.770 8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.045 13.117 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.240 14.877 7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.297 14.810 7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.439 15.951 6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.719 14.908 5.802 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.422 14.107 4.778 1.00 0.00 N ATOM 1153 CA LYS A 69 0.917 14.637 4.540 1.00 0.00 C ATOM 1154 C LYS A 69 1.841 13.552 3.989 1.00 0.00 C ATOM 1155 O LYS A 69 2.670 13.811 3.115 1.00 0.00 O ATOM 1156 CB LYS A 69 1.498 15.211 5.833 1.00 0.00 C ATOM 1157 CG LYS A 69 1.282 14.317 7.046 1.00 0.00 C ATOM 1158 CD LYS A 69 0.487 15.024 8.134 1.00 0.00 C ATOM 1159 CE LYS A 69 1.362 15.369 9.330 1.00 0.00 C ATOM 1160 NZ LYS A 69 2.498 16.255 8.953 1.00 0.00 N ATOM 0 H LYS A 69 -0.790 14.294 5.711 1.00 0.00 H new ATOM 0 HA LYS A 69 0.840 15.434 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.567 15.376 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.046 16.184 6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.756 13.412 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.247 14.006 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.046 15.935 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.337 14.387 8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.757 15.860 10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.749 14.451 9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.978 16.589 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.171 15.724 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.139 17.071 8.418 1.00 0.00 H new ATOM 1174 N HIS A 70 1.689 12.339 4.508 1.00 0.00 N ATOM 1175 CA HIS A 70 2.504 11.214 4.071 1.00 0.00 C ATOM 1176 C HIS A 70 2.265 10.910 2.596 1.00 0.00 C ATOM 1177 O HIS A 70 3.191 10.550 1.871 1.00 0.00 O ATOM 1178 CB HIS A 70 2.203 9.978 4.919 1.00 0.00 C ATOM 1179 CG HIS A 70 2.712 10.081 6.324 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.035 8.980 7.090 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.958 11.162 7.102 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.453 9.380 8.278 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.417 10.699 8.309 1.00 0.00 N ATOM 0 H HIS A 70 1.008 12.110 5.232 1.00 0.00 H new ATOM 0 HA HIS A 70 3.552 11.484 4.200 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.125 9.816 4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.647 9.103 4.443 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.819 12.196 6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.770 8.737 9.086 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.687 11.280 9.102 1.00 0.00 H new ATOM 1192 N GLN A 71 1.018 11.062 2.153 1.00 0.00 N ATOM 1193 CA GLN A 71 0.670 10.807 0.759 1.00 0.00 C ATOM 1194 C GLN A 71 1.461 11.726 -0.163 1.00 0.00 C ATOM 1195 O GLN A 71 2.012 11.290 -1.175 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.830 11.009 0.530 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.675 9.804 0.913 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.066 9.852 0.312 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -3.229 10.078 -0.887 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -4.078 9.639 1.145 1.00 0.00 N ATOM 0 H GLN A 71 0.236 11.359 2.737 1.00 0.00 H new ATOM 0 HA GLN A 71 0.923 9.772 0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.163 11.873 1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.000 11.241 -0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.173 8.894 0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.754 9.751 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.896 9.455 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.037 9.659 0.798 1.00 0.00 H new ATOM 1209 N VAL A 72 1.520 13.001 0.203 1.00 0.00 N ATOM 1210 CA VAL A 72 2.248 13.991 -0.580 1.00 0.00 C ATOM 1211 C VAL A 72 3.717 13.603 -0.707 1.00 0.00 C ATOM 1212 O VAL A 72 4.256 13.527 -1.811 1.00 0.00 O ATOM 1213 CB VAL A 72 2.148 15.392 0.051 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.789 16.434 -0.854 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.697 15.747 0.341 1.00 0.00 C ATOM 0 H VAL A 72 1.071 13.374 1.040 1.00 0.00 H new ATOM 0 HA VAL A 72 1.791 14.019 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 72 2.691 15.383 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.708 17.417 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.840 16.189 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.278 16.443 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.648 16.741 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.127 15.737 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.275 15.018 1.033 1.00 0.00 H new ATOM 1225 N GLU A 73 4.357 13.354 0.430 1.00 0.00 N ATOM 1226 CA GLU A 73 5.763 12.968 0.439 1.00 0.00 C ATOM 1227 C GLU A 73 5.957 11.641 -0.278 1.00 0.00 C ATOM 1228 O GLU A 73 6.940 11.452 -0.994 1.00 0.00 O ATOM 1229 CB GLU A 73 6.286 12.875 1.873 1.00 0.00 C ATOM 1230 CG GLU A 73 7.802 12.861 1.970 1.00 0.00 C ATOM 1231 CD GLU A 73 8.316 13.631 3.171 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.700 14.658 3.526 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.336 13.208 3.755 1.00 0.00 O ATOM 0 H GLU A 73 3.927 13.412 1.353 1.00 0.00 H new ATOM 0 HA GLU A 73 6.330 13.735 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.902 13.719 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.893 11.970 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.149 11.829 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.225 13.289 1.061 1.00 0.00 H new ATOM 1240 N TYR A 74 5.008 10.727 -0.096 1.00 0.00 N ATOM 1241 CA TYR A 74 5.078 9.425 -0.748 1.00 0.00 C ATOM 1242 C TYR A 74 5.246 9.610 -2.248 1.00 0.00 C ATOM 1243 O TYR A 74 6.006 8.890 -2.897 1.00 0.00 O ATOM 1244 CB TYR A 74 3.818 8.609 -0.454 1.00 0.00 C ATOM 1245 CG TYR A 74 4.001 7.120 -0.650 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.031 6.439 -0.014 1.00 0.00 C ATOM 1247 CD2 TYR A 74 3.144 6.397 -1.471 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.202 5.078 -0.192 1.00 0.00 C ATOM 1249 CE2 TYR A 74 3.310 5.038 -1.652 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.339 4.382 -1.011 1.00 0.00 C ATOM 1251 OH TYR A 74 4.506 3.027 -1.190 1.00 0.00 O ATOM 0 H TYR A 74 4.187 10.863 0.494 1.00 0.00 H new ATOM 0 HA TYR A 74 5.938 8.881 -0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.506 8.796 0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.012 8.956 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.709 6.980 0.629 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.336 6.906 -1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.008 4.563 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.636 4.491 -2.294 1.00 0.00 H new ATOM 0 HH TYR A 74 4.116 2.760 -2.049 1.00 0.00 H new ATOM 1261 N ASP A 75 4.538 10.598 -2.786 1.00 0.00 N ATOM 1262 CA ASP A 75 4.611 10.907 -4.206 1.00 0.00 C ATOM 1263 C ASP A 75 5.945 11.571 -4.535 1.00 0.00 C ATOM 1264 O ASP A 75 6.501 11.368 -5.615 1.00 0.00 O ATOM 1265 CB ASP A 75 3.454 11.823 -4.611 1.00 0.00 C ATOM 1266 CG ASP A 75 2.309 11.060 -5.247 1.00 0.00 C ATOM 1267 OD1 ASP A 75 2.554 10.332 -6.232 1.00 0.00 O ATOM 1268 OD2 ASP A 75 1.166 11.191 -4.761 1.00 0.00 O ATOM 0 H ASP A 75 3.906 11.199 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 75 4.534 9.976 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.089 12.354 -3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.818 12.576 -5.310 1.00 0.00 H new ATOM 1273 N GLN A 76 6.454 12.366 -3.595 1.00 0.00 N ATOM 1274 CA GLN A 76 7.723 13.057 -3.787 1.00 0.00 C ATOM 1275 C GLN A 76 8.876 12.062 -3.878 1.00 0.00 C ATOM 1276 O GLN A 76 9.878 12.317 -4.547 1.00 0.00 O ATOM 1277 CB GLN A 76 7.972 14.040 -2.642 1.00 0.00 C ATOM 1278 CG GLN A 76 7.034 15.237 -2.655 1.00 0.00 C ATOM 1279 CD GLN A 76 7.344 16.233 -1.555 1.00 0.00 C ATOM 1280 OE1 GLN A 76 8.162 15.968 -0.673 1.00 0.00 O ATOM 1281 NE2 GLN A 76 6.687 17.387 -1.600 1.00 0.00 N ATOM 0 H GLN A 76 6.007 12.546 -2.696 1.00 0.00 H new ATOM 0 HA GLN A 76 7.668 13.610 -4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.865 13.515 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.001 14.395 -2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.102 15.736 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.006 14.890 -2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.018 17.564 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.852 18.096 -0.885 1.00 0.00 H new ATOM 1290 N LEU A 77 8.727 10.927 -3.202 1.00 0.00 N ATOM 1291 CA LEU A 77 9.754 9.893 -3.207 1.00 0.00 C ATOM 1292 C LEU A 77 9.553 8.930 -4.373 1.00 0.00 C ATOM 1293 O LEU A 77 10.510 8.339 -4.873 1.00 0.00 O ATOM 1294 CB LEU A 77 9.738 9.121 -1.886 1.00 0.00 C ATOM 1295 CG LEU A 77 10.277 9.889 -0.681 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.993 9.128 0.606 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.769 10.140 -0.835 1.00 0.00 C ATOM 0 H LEU A 77 7.904 10.701 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 77 10.722 10.380 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.713 8.815 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.324 8.210 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 77 9.769 10.852 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.384 9.690 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.917 8.998 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.474 8.151 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.137 10.688 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.292 9.187 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.948 10.725 -1.737 1.00 0.00 H new ATOM 1309 N THR A 78 8.303 8.774 -4.798 1.00 0.00 N ATOM 1310 CA THR A 78 7.976 7.881 -5.902 1.00 0.00 C ATOM 1311 C THR A 78 7.711 8.670 -7.185 1.00 0.00 C ATOM 1312 O THR A 78 6.651 9.277 -7.338 1.00 0.00 O ATOM 1313 CB THR A 78 6.751 7.035 -5.552 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.611 7.856 -5.370 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.931 6.215 -4.293 1.00 0.00 C ATOM 0 H THR A 78 7.500 9.255 -4.393 1.00 0.00 H new ATOM 0 HA THR A 78 8.830 7.225 -6.070 1.00 0.00 H new ATOM 0 HB THR A 78 6.618 6.355 -6.394 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.639 8.600 -6.007 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.026 5.639 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.774 5.536 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.123 6.879 -3.450 1.00 0.00 H new